SCHEMBL31336364

SCHEMBL31336364

CN1CCOB(c2ccncc2)OCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
CYP3A4 P08684 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
MELK Q14680 1/20 0.32
HRH3 Q9Y5N1 3/20 0.32
CHKA P35790 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14983454 0.82 LMNA (0.35) CHKASMN1; SMN2
SCHEMBL12989225 0.81 POLB (0.39) SMN1; SMN2TDP1
SCHEMBL31336211 0.81 ALDH1A1 (0.40) CYP3A4TDP1
SCHEMBL3457445 0.79 KMT2A (0.36) HRH3
SCHEMBL14983472 0.78 CYP1A2 (0.32) CHKA
SCHEMBL2075021 0.78 ALDH1A1 (0.41) HRH4HRH3TDP1
SCHEMBL3457557 0.78 LPL (0.41) SMN1; SMN2L3MBTL1
SCHEMBL3457590 0.78 ATM (0.42) GAAHRH3SMN1; SMN2TDP1L3MBTL1
SCHEMBL31336215 0.77 EPHX2 (0.39) HRH4CHKA
SCHEMBL31336177 0.75 NPSR1 (0.42) CHKASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024232325-A1 DIOXAZABOROCANE DERIVATIVE 国立大学法人 東京医科歯科大学 2024-11-14 WO claimed